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Information card for entry 7048513
Preview
| Coordinates | 7048513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H20 F12 N6 P2 Ru S3 |
|---|---|
| Calculated formula | C26 H20 F12 N6 P2 Ru S3 |
| Title of publication | Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes. |
| Authors of publication | Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 4 |
| Pages of publication | 1263 - 1274 |
| a | 9.9194 ± 0.001 Å |
| b | 12.2967 ± 0.0012 Å |
| c | 15.4919 ± 0.0016 Å |
| α | 83.535 ± 0.003° |
| β | 78.175 ± 0.002° |
| γ | 71.471 ± 0.002° |
| Cell volume | 1751.4 ± 0.3 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7048513.cif |
| 224090 | 2019-11-07 | cif/ Updating files of 7048509, 7048510, 7048511, 7048512, 7048513, 7048514, 7048515, 7048516, 7048517 Original log message: Adding full bibliography for 7048509--7048517.cif. |
7048513.cif |
| 212954 | 2019-01-11 | cif/ Adding structures of 7048509, 7048510, 7048511, 7048512, 7048513, 7048514, 7048515, 7048516, 7048517 via cif-deposit CGI script. |
7048513.cif |
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Users of the data should acknowledge the original authors of the
structural data.